Information card for entry 7033373

Structure parameters

• Chemical name: Tetrabutylammonium trans-[tetrachloridobis(1-methylindazole)ruthenate(III)] acetone solvate'
• Formula: C34.25 H53.5 Cl4 N5 O0.75 Ru
• Calculated formula: C34.25 H53.5 Cl4 N5 O0.75 Ru
• Title of publication: Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.
• Authors of publication: Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 659 - 668
• a: 12.1585 ± 0.0005 Å
• b: 23.9977 ± 0.0009 Å
• c: 14.8897 ± 0.0006 Å
• α: 90°
• β: 104.063 ± 0.0014°
• γ: 90°
• Cell volume: 4214.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No